364386

Source:http://linkedlifedata.com/resource/chembl/compound/364386

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C32H35F4N3O7S/c1-20(2)17-38(47(43,44)24-12-13-28(45-3)25(33)16-24)18-27(40)26(14-21-8-5-4-6-9-21)37-30(41)29-19-39(31(42)46-29)23-11-7-10-22(15-23)32(34,35)36/h4-13,15-16,20,26-27,29,40H,14,17-19H2,1-3H3,(H,37,41)/t26-,27+,29-/m0/s1
chemicalCompound:standardIn...	GOKNBQOQISRCDE-GKRYNVPLSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(F)(F)F
chemicalCompound:molecularF...	C32H35F4N3O7S
chemicalCompound:moleculeId	364386
chemicalCompound:mwFreebase	681.695
chemicalCompound:alogp	5.324
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	133.85
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.042
chemicalCompound:acdLogP	6.375
chemicalCompound:acdLogD	6.375
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	681.695
chemicalCompound:chemblId	CHEMBL385790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464386
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:1795384, activity:2496822, activity:2496947